기본 정보
- 표준 SMILES
CC(=O)NS(=O)(=O)c1ccc(N)cc1- InChIKey
SKIVFJLNDNKQPD-UHFFFAOYSA-N- 분자식
- C8H10N2O3S
- 평균 분자량
- 214.24 g/mol
- 단동위원소 질량
- 214.04121318
개요
Sulfacetamide is a white powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Sulfacetamide
- IUPAC
- N-(4-aminophenyl)sulfonylacetamide
- 현지명
- 설파세타마이드
- 영어명
- Sulfacetamide
- 분자식
- C8H10N2O3S
- 분자량
- 214.24
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
144-80-9- PubChem CID
- 5320
- DTXSID
DTXSID8026060- ChEMBL
CHEMBL455- ChEBI
CHEBI:63845- UNII
- 4965G3J0F5
- EC Number
- 205-640-6
- Nikkaji
- J8.635E
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 97.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 299
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
LogP
-0.6
-0.1
Solubility
less than 0.1 mg/mL at 61 °F (NTP, 1992)
4.21e+00 g/L
>32.1 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point
360 to 363 °F (NTP, 1992)
183 °C
Physical Description
Sulfacetamide is a white powder. (NTP, 1992)
Solid
Collision Cross Section
154.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8026060]
141.79 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
146.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
152.76 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 182 · 182-184 °C
- 밀도
- 1.3844 · 1.3844 (rough estimate)
- 굴절률
- 1.569 · 1.5690 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 50 mg/mL · 에탄올: 용해성50mg/mL
- 산도 계수 (pKa)
- 1.76 · pKa 1.76±0.04(H2O t = 25 I = 0.15 (KCl) Ar atmosphere)(Approximate);5.22±0.01(H2O t = 25 I = 0.15 (KCl) Ar atmosphere)(Approximate)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수용성
- 16 · 16 ºC에서 <0.01g/100mL
- Merck
- 14 · 14,8899
- BRN
- 981718 · 981718
- 안정성
- 안정적인. 강한 산화제, 강염기, 강한 환원제, 강산과 호환되지 않습니다.
- 주요 응용
- 임상 시험
- InChI
- 1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- SKIVFJLNDNKQPD-UHFFFAOYSA-N
- SMILES
- CC(=O)NS(=O)(=O)c1ccc(N)cc1
- NIST
- N-(p-Aminobenzenesulfonyl)acetamide(144-80-9)
- EPA
- Sulfacetamide (144-80-9)
화학적 성질
white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 10% (4 of 40) of reports.
Warning
H317 (77.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P271, P272, P280, P302+P352, P304+P340, P318, P319, P321, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
SULFACETAMIDE is an amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generate mixed oxides of nitrogen (NOx)
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AC8450000
- 독성
- LD50 orally in dogs: 8000 mg/kg (Fisher)
- HS 번호
- 29350090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Hazard Classifications
- Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
D - Dermatologicals
S - Sensory organs
QS - Sensory organs
QJ - Antiinfectives for systemic use
QD - Dermatologicals
Pharmacodynamics
Sulfacetamide is a sulfonamide antibiotic with bacteriostatic actions and broad-spectrum activity against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of <i>p</i>-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.
Mechanism of Action
Sulfacetamide is a competitive inhibitor of bacterial para-aminobenzoic acid (PABA), an essential component for bacterial growth (according to the Woods-Fildes theory). The inhibited reaction is necessary in these organisms for the synthesis of folic acid.
FDA Pharmacological Classification
4965G3J0F5
SULFACETAMIDE
Established Pharmacologic Class [EPC] - Sulfonamide Antibacterial
Chemical Structure [CS] - Sulfonamides
Sulfacetamide is a Sulfonamide Antibacterial.
MeSH Pharmacological Classification
Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Substances capable of killing agents causing urinary tract infections or of preventing them from spreading.
Substances that inhibit the growth or reproduction of BACTERIA.
용도 및 제조
응용 분야
일반 설명Sulfacetamide’s plasmahalf-life is 7 hours. This compound is a white crystallinepowder, soluble in water (1:62.5 at 37°C) and in alcohol. It is very soluble in hot water, and its water solution is acidic.It has a pKa of 5.4.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen.
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